Information card for entry 1556662

Structure parameters

• Common name: dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc
• Chemical name: dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc
• Formula: C18 H28 Br2 N4 S2 Zn
• Calculated formula: C18 H28 Br2 N4 S2 Zn
• SMILES: Br[Zn](Br)([S]=c1[nH]nc(cc1C)C(C)(C)C)[S]=c1[nH]nc(cc1C)C(C)(C)C
• Title of publication: Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands
• Authors of publication: Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 24
• a: 10.2147 ± 0.0003 Å
• b: 8.6489 ± 0.0002 Å
• c: 27.2498 ± 0.0008 Å
• α: 90°
• β: 96.6196 ± 0.0013°
• γ: 90°
• Cell volume: 2391.36 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No